N-Propargylnitrendipene

Base Information Edit

Chemical Name:N-Propargylnitrendipene
CAS No.:544478-19-5
Molecular Formula:C21H22N2O6
Molecular Weight:398.40900
Hs Code.:
ChEMBL ID:CHEMBL1256776
DSSTox Substance ID:DTXSID50468257
Mol file:544478-19-5.mol

Synonyms:MRS 1845;MRS-1845;MRS1845

Suppliers and Price of N-Propargylnitrendipene

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
MRS 1845
10mg
$ 446.00

TRC
MRS 1845
1mg
$ 105.00

Sigma-Aldrich
MRS 1845 ≥95% (HPLC), solid
5mg
$ 213.00

DC Chemicals
MRS 1845 >98%
250 mg
$ 1300.00

ChemScene
MRS 1845 99.27%
25mg
$ 180.00

ChemScene
MRS 1845 99.27%
10mg
$ 100.00

ChemScene
MRS 1845 99.27%
100mg
$ 420.00

ChemScene
MRS 1845 99.27%
50mg
$ 280.00

Biorbyt Ltd
MRS 1845 >98%
1 g
$ 3728.10

Biorbyt Ltd
MRS 1845 >98%
250 mg
$ 1949.90

Total 4 raw suppliers

Chemical Property of N-Propargylnitrendipene Edit

Chemical Property:

Vapor Pressure:4.28E-12mmHg at 25°C
Boiling Point:530.8oC at 760 mmHg
PKA:0.03±0.70(Predicted)
Flash Point:274.8oC
PSA：101.66000
Density:1.318g/cm3
LogP:3.37240
Storage Temp.:2-8°C
Solubility.:DMSO: 13 mg/mL at 60 °C, soluble
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:398.14778643
Heavy Atom Count:29
Complexity:798

Purity/Quality:

98% min ^*data from raw suppliers

MRS 1845 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CC#C)C
Uses MRS 1845 acts as a potent SOCE inhibitor that can block Ca2+ capacitative entry resulting in an antiinflammatory effect.

Technology Process of N-Propargylnitrendipene

There total 1 articles about N-Propargylnitrendipene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 22.0%